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Record W4400485156 · doi:10.61091/jcmcc120-27

Molecular Descriptors Of Certain Class Of Carbon Nanocone Networks Through Quotient Graph Approach

2024· article· en· W4400485156 on OpenAlexvenueno aff
Lakhdar Ragoub

Bibliographic record

VenueJournal of Combinatorial Mathematics and Combinatorial Computing · 2024
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsnot available
Fundersnot available
KeywordsQuotientGraphClass (philosophy)MathematicsComputer scienceCombinatoricsArtificial intelligence

Abstract

fetched live from OpenAlex

Nanoparticles have potential applications in a wide range of fields, including electronics, medicine and material research, because of their remarkable and exceptional attributes. Carbon nanocones are planar carbon networks with mostly hexagonal faces and a few non-hexagonal faces (mostly pentagons) in the core. Two types of nanocone configurations are possible: symmetric and asymmetric, depending on where the pentagons are positioned within the structure. In addition to being a good substitute for carbon nanotubes, carbon nanocones have made an identity for themselves in a number of fields, including biosensing, electrochemical sensing, biofuel cells, supercapacitors, gas storage devices, and biomedical applications. Their astonishing chemical and physical attributes have made them well-known and widely accepted in the fields of condensed matter physics, chemistry, material science, and nanotechnology. Mathematical and chemical breakthroughs were made possible by the concept of modeling a chemical structure as a chemical graph and quantitatively analyzing the related graph using molecular descriptors. Molecular descriptors are useful in many areas of chemistry, biology, computer science, and other sciences because they allow for the analysis of chemical structures without the need for experiments. In this work, the quotient graph approach is used to establish the distance based descriptors of symmetrically configured two-pentagonal and three-pentagonal carbon nanocones.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0020.001
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.018
GPT teacher head0.270
Teacher spread0.252 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations0
Published2024
Admission routes1
Has abstractyes

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